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o-(methylthio)benzoic acid
SpectraBase Compound ID GCEijtZ5pHh
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20FFJOQDE0o
Name 2-(Methylthio)benzoic acid
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100063
Molecular Weight 168.210 g/mol
SMILES OC(c1c(cccc1)SC)=O
SPLASH splash10-0g4i-0900000000-ab7af20e883c2357f7c9
Source of Spectrum AJO-10-SM22-4b
Wiley ID 1866307